1-Azabicyclo(2.2.2)octan-3-one, 2-(1,3-benzodioxol-5-ylmethyl)-
Basic information
- CAS
111896-96-9- Standard SMILES
O=C1C2CCN(CC2)C1Cc1ccc2c(c1)OCO2- InChIKey
WLBOKVAHWFVTCP-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octan-3-one, 2-(1,3-benzodioxol-5-ylmethyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
BRN 5753212111896-96-92-(3,4-Methylenedioxybenzyl)-3-oxoquinuclidine2-(1,3-Benzodioxol-5-ylmethyl)-1-azabicyclo(2.2.2)octan-3-one1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-(1,3-BENZODIOXOL-5-YLMETHYL)-2-(1,3-benzodioxol-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-oneRefChem:227611DTXSID70920600CCG-24214STK683866AKOS0055981692-(1,3-benzodioxol-5-ylmethyl)quinuclidin-3-one
Show more names
AG-664/116870482-[(2H-1,3-Benzodioxol-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Database identifiers
- CAS
111896-96-9- PubChem CID
- 60522
- DTXSID
DTXSID70920600
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
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Compound notes
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